Li6PmPt4
Alexandria ALEXAlex-ID: agm003661434 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Li2Pt PmPt
2022-04-08 11:42:23.547064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661434).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003661434
data_agm003661434
_cell_length_a 6.71645
_cell_length_b 6.71645
_cell_length_c 6.71645
_cell_angle_alpha 85.88077
_cell_angle_beta 122.40606
_cell_angle_gamma 122.40606
_cell_volume 205.87082
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li1 Li 1.00000 0.88729 0.51000 1.00000
Li2 Li 1.00000 0.51000 0.88729 1.00000
Li3 Li 0.62271 0.11271 0.11271 1.00000
Li4 Li 0.50000 0.00000 0.50000 1.00000
Li5 Li 0.37729 0.49000 0.49000 1.00000
Li6 Li 0.50000 0.50000 0.00000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 1.00000 0.24380 0.61433 1.00000
Pt2 Pt 0.62948 0.38567 0.38567 1.00000
Pt3 Pt 1.00000 0.61433 0.24380 1.00000
Pt4 Pt 0.37052 0.75620 0.75620 1.00000
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